7XQ4

Drimenyl diphosphate synthase from Streptomyces showdoensis (apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97916
Spacegroup name	C 2 2 21
Unit cell lengths	51.180, 113.920, 179.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.270 - 1.580
R-factor	0.1704
Rwork	0.170
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The starting model is predicted by Alphafold2
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.960	56.960	1.610
High resolution limit [Å]	1.580	8.650	1.580
Rmerge	0.068	0.048	0.366
Rmeas	0.074	0.052	0.397
Rpim	0.029	0.020	0.153
Total number of observations	461347	3003	22670
Number of reflections	70754	493	3449
<I/σ(I)>	16.2	28.4	5.7
Completeness [%]	98.1	99	96.6
Redundancy	6.5	6.1	6.6
CC(1/2)	0.998	0.996	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289.15	HEPES, NaCl